Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4 BDBM174887

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174887 (US9102669, 77) Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3cn[nH]c3)c2c1 Show InChI InChI=1S/C20H21FN6/c21-16-2-1-14-5-10-27(19(14)11-16)17-6-8-26(9-7-17)20-4-3-18(24-25-20)15-12-22-23-13-15/h1-4,11-13,17H,5-10H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair